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Found 2 hits Enz. Inhib. hit(s) with Target = 'Inhibitor of nuclear factor kappa-B kinase subunit epsilon' and Ligand = 'BDBM278079'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM278079
PNG
((S)-2-((1-acetyl-3,3-difluoropiperidin-4-yl)oxy)-5...)
Show SMILES CC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)C3CCNCC3)n2)C(F)(F)C1 |r|
Show InChI InChI=1S/C28H29F2N7O2/c1-18(38)37-13-10-25(28(29,30)16-37)39-24-7-4-21(14-22(24)15-31)26-33-17-34-27(36-26)35-23-5-2-19(3-6-23)20-8-11-32-12-9-20/h2-7,14,17,20,25,32H,8-13,16H2,1H3,(H,33,34,35,36)/t25-/m0/s1
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



University of Rome La Sapienza



Assay Description
Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...


J Med Chem 50: 6554-69 (2007)


BindingDB Entry DOI: 10.7270/Q2Q52RXT
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM278079
PNG
((S)-2-((1-acetyl-3,3-difluoropiperidin-4-yl)oxy)-5...)
Show SMILES CC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)C3CCNCC3)n2)C(F)(F)C1 |r|
Show InChI InChI=1S/C28H29F2N7O2/c1-18(38)37-13-10-25(28(29,30)16-37)39-24-7-4-21(14-22(24)15-31)26-33-17-34-27(36-26)35-23-5-2-19(3-6-23)20-8-11-32-12-9-20/h2-7,14,17,20,25,32H,8-13,16H2,1H3,(H,33,34,35,36)/t25-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/a7.0n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...


US Patent US10040781 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J41
More data for this
Ligand-Target Pair